2-[(2E)-3-(furan-2-yl)-2-methylprop-2-en-1-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 708479
• Molecular Formular: C19H30N2O2
• Molecular Mass: 318.4537
• Monoisotopic Mass: 318.23072821
• SMILES: N1(CC2(CN(CCC2)CCOC)CC1)C/C(=C/c1occc1)/C
• Canonical SMILES: COCCN1CCCC2(C1)CCN(C2)C/C(=C/c1ccco1)/C
• InChI: InChI=1S/C19H30N2O2/c1-17(13-18-5-3-11-23-18)14-21-9-7-19(16-21)6-4-8-20(15-19)10-12-22-2/h3,5,11,13H,4,6-10,12,14-16H2,1-2H3/b17-13+
• InChIKey: WQNJPFGVFFUXFW-GHRIWEEISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2E)-3-(furan-2-yl)-2-methylprop-2-en-1-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-[(2E)-3-(furan-2-yl)-2-methylprop-2-en-1-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 2-[(2E)-3-(2-furyl)-2-methyl-2-propen-1-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.687068
• LogD (pH = 7.4): -0.0039609317
• Log P: 2.328973
• Molar Refractivity: 95.4173 cm^3
• Polarizability: 36.94373 Å^3
• Polar Surface Area: 28.85 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.66
• LOG S: -0.79
• Polar Surface Area: 28.85 Å^2
• Rotatable Bonds: 5